3-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 3-methyl-1-[3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 3-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 3-methyl-1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)CC(C)C

InChI

InChI=1S/C19H22N4OS/c1-13(2)11-17(24)23-19(20-12-16-5-4-10-25-16)21-18(22-23)15-8-6-14(3)7-9-15/h4-10,13H,11-12H2,1-3H3,(H,20,21,22)